rel-(1R,2R,3aS)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Chemical Structure Depiction of
rel-(1R,2R,3aS)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
rel-(1R,2R,3aS)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Compound characteristics
| Compound ID: | 8008-3007 |
| Compound Name: | rel-(1R,2R,3aS)-2-[4-(methylsulfanyl)phenyl]-1-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile |
| Molecular Weight: | 505.68 |
| Molecular Formula: | C32 H31 N3 O S |
| Smiles: | [H][C@@]12C=Cc3ccccc3N2[C@H](C(C23CC4CC(CC(C4)C3)C2)=O)[C@@H](c2ccc(cc2)SC)C1(C#N)C#N |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 7.3871 |
| logD: | 7.343 |
| logSw: | -5.8286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.845 |
| InChI Key: | HYUURDHZLXYBMM-SOHPDCFESA-N |